6-chloro-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one;hydrochloride

C₂₄H₂₄Cl₂FN₃O — CID 153366220

About 6-chloro-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one;hydrochloride

6-chloro-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one;hydrochloride (PubChem CID 153366220) has the molecular formula C₂₄H₂₄Cl₂FN₃O and a molecular weight of 460.38 g/mol. Its IUPAC name is 6-chloro-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one;hydrochloride.

Molecular Properties

• Compound Name: 6-chloro-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one;hydrochloride
• PubChem CID: 153366220
• Molecular Formula: C₂₄H₂₄Cl₂FN₃O
• Molecular Weight: 460.38 g/mol
• Exact Mass: 459.13
• IUPAC Name: 6-chloro-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one;hydrochloride
• SMILES: CC(C1CCC(c2ccnc3ccc(F)cc23)CC1)n1[nH]c2cc(Cl)ccc2c1=O.Cl
• InChI: InChI=1S/C24H23ClFN3O.ClH/c1-14(29-24(30)20-8-6-17(25)12-23(20)28-29)15-2-4-16(5-3-15)19-10-11-27-22-9-7-18(26)13-21(19)22;/h6-16,28H,2-5H2,1H3;1H
• InChIKey: WSDXGTQKTHXYSC-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 50.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.38
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one;hydrochloride?

The IUPAC name of 6-chloro-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one;hydrochloride (CID 153366220) is 6-chloro-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one;hydrochloride.

What is the SMILES notation for 6-chloro-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one;hydrochloride?

The canonical SMILES for 6-chloro-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one;hydrochloride is CC(C1CCC(c2ccnc3ccc(F)cc23)CC1)n1[nH]c2cc(Cl)ccc2c1=O.Cl.

What is the InChIKey of 6-chloro-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one;hydrochloride?

The InChIKey is WSDXGTQKTHXYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O.ClH/c1-14(29-24(30)20-8-6-17(25)12-23(20)28-29)15-2-4-16(5-3-15)19-10-11-27-22-9-7-18(26)13-21(19)22;/h6-16,28H,2-5H2,1H3;1H.

What are the key properties of 6-chloro-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one;hydrochloride?

6-chloro-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one;hydrochloride has a molecular weight of 460.38 g/mol, XLogP of 6.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1H-indazol-3-one;hydrochloride is sourced from PubChem (CID 153366220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153366220 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.